N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine

C27H35ClFN3O2 — CID 164899925

IUPACN-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine
SMILESCCCCN(CCCC)CCCOc1cc2nc(Nc3ccc(F)c(Cl)c3)ccc2cc1OC
InChIInChI=1S/C27H35ClFN3O2/c1-4-6-13-32(14-7-5-2)15-8-16-34-26-19-24-20(17-25(26)33-3)9-12-27(31-24)30-21-10-11-23(29)22(28)18-21/h9-12,17-19H,4-8,13-16H2,1-3H3,(H,30,31)
InChIKeyXNDQPLBVYZYSOE-UHFFFAOYSA-N
MW488.05 g/mol
LogP7.45
Rot. Bonds14

About N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine

N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine (PubChem CID 164899925) has the molecular formula C27H35ClFN3O2 and a molecular weight of 488.05 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine
PubChem CID164899925
Molecular FormulaC27H35ClFN3O2
Molecular Weight488.05 g/mol
Exact Mass487.24
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine
SMILESCCCCN(CCCC)CCCOc1cc2nc(Nc3ccc(F)c(Cl)c3)ccc2cc1OC
InChIInChI=1S/C27H35ClFN3O2/c1-4-6-13-32(14-7-5-2)15-8-16-34-26-19-24-20(17-25(26)33-3)9-12-27(31-24)30-21-10-11-23(29)22(28)18-21/h9-12,17-19H,4-8,13-16H2,1-3H3,(H,30,31)
InChIKeyXNDQPLBVYZYSOE-UHFFFAOYSA-N
XLogP7.45
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.05
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
N-(3-chloro-4-fluorophenyl)-6-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy]-7-methoxyquinazolin-4-amine
CID 121362271
N-(3-chloro-4-fluorophenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine
CID 129239945
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol
CID 91155963
N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109125702
CID 72715104
CID 72715104

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine (CID 164899925) is N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine is CCCCN(CCCC)CCCOc1cc2nc(Nc3ccc(F)c(Cl)c3)ccc2cc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine?
The InChIKey is XNDQPLBVYZYSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClFN3O2/c1-4-6-13-32(14-7-5-2)15-8-16-34-26-19-24-20(17-25(26)33-3)9-12-27(31-24)30-21-10-11-23(29)22(28)18-21/h9-12,17-19H,4-8,13-16H2,1-3H3,(H,30,31).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine?
N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine has a molecular weight of 488.05 g/mol, XLogP of 7.45, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine is sourced from PubChem (CID 164899925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).